1-benzyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine

C19H20N2O2 — CID 15587283

IUPAC1-benzyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
SMILESCOc1cc2c(cc1OC)C(Cc1ccccc1)=NN=C(C)C2
InChIInChI=1S/C19H20N2O2/c1-13-9-15-11-18(22-2)19(23-3)12-16(15)17(21-20-13)10-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3
InChIKeyQDCMHTYHSKTTGX-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.67
Rot. Bonds4

About 1-benzyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine

1-benzyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine (PubChem CID 15587283) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-benzyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine.

Molecular Properties

Compound Name1-benzyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
PubChem CID15587283
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-benzyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
SMILESCOc1cc2c(cc1OC)C(Cc1ccccc1)=NN=C(C)C2
InChIInChI=1S/C19H20N2O2/c1-13-9-15-11-18(22-2)19(23-3)12-16(15)17(21-20-13)10-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3
InChIKeyQDCMHTYHSKTTGX-UHFFFAOYSA-N
XLogP3.67
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 13115653
1-(3-fluorophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
CID 15587246
7,8-dimethoxy-4-methyl-1-thiophen-2-yl-5H-2,3-benzodiazepine
CID 15587287
1-[2-(2-bromophenyl)ethenyl]-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
CID 54425390
12-benzyl-4,5-dimethoxy-13-thia-10,11,15-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene
CID 10090107
7,8-dimethoxy-4-(4-methylphenyl)-1-phenyl-5H-2,3-benzodiazepine
CID 70081746
4-[(E)-2-(7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)ethenyl]-N,N-dimethylaniline
CID 15379974
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
6-methoxy-1-(2-phenylethyl)-3,4-dihydroisoquinolin-7-ol
CID 91664980
7,8-dimethoxy-N,N-dimethyl-1-phenyl-5H-2,3-benzodiazepin-4-amine
CID 70081843
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
2-benzyl-2-ethyl-5,6-dimethoxy-1,3-dihydroisoindol-2-ium
CID 22166083

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine?
The IUPAC name of 1-benzyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine (CID 15587283) is 1-benzyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine.
What is the SMILES notation for 1-benzyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine?
The canonical SMILES for 1-benzyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine is COc1cc2c(cc1OC)C(Cc1ccccc1)=NN=C(C)C2.
What is the InChIKey of 1-benzyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine?
The InChIKey is QDCMHTYHSKTTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-9-15-11-18(22-2)19(23-3)12-16(15)17(21-20-13)10-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 1-benzyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine?
1-benzyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine has a molecular weight of 308.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine is sourced from PubChem (CID 15587283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).